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Ligand

NameCHEMBL1689567
Molecular formulaC36H58N10O6
IUPAC name(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanamide
Molecular weight726.924
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP2.0
SynonymsN/A
Inchi KeyFSOAHJSMZPPPED-NUCSNEOGSA-N
Inchi IDInChI=1S/C36H58N10O6/c1-7-22(6)31(46-34(51)28(16-21(4)5)44-29(47)17-23-18-41-25-12-9-8-11-24(23)25)35(52)42-19-30(48)43-26(13-10-14-40-36(38)39)33(50)45-27(32(37)49)15-20(2)3/h8-9,11-12,18,20-22,26-28,31,41H,7,10,13-17,19H2,1-6H3,(H2,37,49)(H,42,52)(H,43,48)(H,44,47)(H,45,50)(H,46,51)(H4,38,39,40)/t22-,26-,27-,28-,31-/m0/s1
PubChem CID51349580
ChEMBLCHEMBL1689567
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445148Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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